Chem
J-GLOBAL ID：200907011729178340
Nikkaji number：J746.770B
(1S,5R,7R)-4-[(S)-1-Oxo-2-(benzyloxyamino)-4-methyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
(1S,5R,7R)-4-[(S)-1-オキソ-2-(ベンジルオキシアミノ)-4-メチル-4-ペンテニル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C23H32N2O2[O-]2[S+2]
Molecular formula furigana： C23-H32-N2-O4-S
Molecular weight： 432.580
InChI：
InChI=1S/C23H32N2O4S/c1-16(2)12-19(24-29-14-17-8-6-5-7-9-17)21(26)25-20-13-18-10-11-23(20,22(18,3)4)15-30(25,27)28/h5-9,18-20,24H,1,10-15H2,2-4H3/t18-,19+,20-,23-/m1/s1
InChI key：
SHKQFZAHTGGHRS-VLVHOKLOSA-N
SMILES：
CC(=C)C[C@H](NOCc1ccccc1)C(=O)N1[C@@H]2C[C@H]3CC[C@]2(C[S+2]1([O-])[O-])C3(C)C
Systematic name (3)：
- (1S,5R,7R)-4-[(S)-1-オキソ-2-(ベンジルオキシアミノ)-4-メチル-4-ペンテニル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン3,3-ジオキシド
- (1S,5R,7R)-4-[(2S)-2-[(ベンジルオキシ)アミノ]-4-メチルペンタ-4-エノイル]-10,10-ジメチル-3-チア-4-アザトリシクロ[5.2.1.01,5]デカン-3,3-ジイウム-3,3-ビス(オラート)
- (1S,5R,7R)-4-[(2S)-2-[(benzyloxy)amino]-4-methylpent-4-enoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-diium-3,3-bis(olate)
- (1S,5R,7R)-4-[(S)-1-Oxo-2-(benzyloxyamino)-4-methyl-4-pentenyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.01,5]decane3,3-dioxide
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